Structure of PDB 4yfy Chain B Binding Site BS02

Receptor Information
>4yfy Chain B (length=241) Species: 126385 (Providencia alcalifaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKILVISDNYQLVSYIKNLYLSNEEWSKELFIDYSYSSINRNPQSLIEL
GMTEIDIKNKNLNELNDYHLIISAHCKQIFPAHIVNNKLCINIHPGLNPY
NRGWFPQVFSILNKKPIGATIHKMDSEVDHGEIYCQEEVSILSHETSIDI
YNKVIELEKKLIKNNLLKIINNELQPKLPSQEGNYNSIQDFNKLCKLNLE
DNGSLREHIDLLRALTHGDFKNAYFYDENNTKVFVKIELSL
Ligand information
Ligand ID1YJ
InChIInChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12+/m1/s1
InChIKeyMSTNYGQPCMXVAQ-NEPJUHHUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N
CACTVS 3.385NC1=NC2=C(N[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N
CACTVS 3.385NC1=NC2=C(N[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1
ACDLabs 12.01O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC2=C(N=C(N)NC2=O)NC3)CCC(=O)O
FormulaC19 H23 N7 O6
NameN-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
ChEMBLCHEMBL2074655
DrugBank
ZINCZINC000004228235
PDB chain4yfy Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yfy Molecular structure of an N-formyltransferase from Providencia alcalifaciens O30.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C76 K77 Q78 I79 F80 N92 W104 M124 D125 E127 V128 D129
Binding residue
(residue number reindexed from 1)		C76 K77 Q78 I79 F80 N92 W104 M124 D125 E127 V128 D129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004479 methionyl-tRNA formyltransferase activity
Biological Process
GO:0006413 translational initiation
GO:0009058 biosynthetic process
GO:0071951 conversion of methionyl-tRNA to N-formyl-methionyl-tRNA
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4yfy, PDBe:4yfy, PDBj:4yfy
PDBsum4yfy
PubMed25752909
UniProtM9P0Q2

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